Y020-5281 Screening compound: 2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-1-carboxamide

Y020-5281 Screening compound: 2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-1-carboxamide
Y020-5281 Screening compound: 2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5281
2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y020-5281

Molecular Formula

C25H25N3O3 (C25 H25 N3 O3)

Compound Name

2,2,4-trimethyl-N-(4-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinoline-1-carboxamide

IUPAC name

224-trimethyl-N-(4-nitrophenyl)-4-phenyl-1234-tetrahydroquinoline-1-carboxamide

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(Nc(cc2)ccc2[N+]([O-])=O)=O)c2c1cccc2

InChI

InChI=1S/C25H25N3O3/c1-24(2)17-25(3,18-9-5-4-6-10-18)21-11-7-8-12-22(21)27(24)23(29)26-19-13-15-20(16-14-19)28(30)31/h4-16H,17H2,1-3H3,(H,26,29)/t25-/m0/s1

InChI Key

QVFYVCAGWBSPIF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02816923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.682

Distribution Coefficient, logD

5.682

Water Solubility, LogSw

-5.62

Polar Surface Area

56.255

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

Y020-5281 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-5281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5281?
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What is the minimum amount of Y020-5281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5281
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y020-5281 available by request